UCSF

ZINC08766923

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 23 Yes

Popular Name: 3-(3-methoxyphenyl)-1-[5-(4-pyridyl)-3H-1,3,4-thiadiazol-2-ylidene]-urea 3-(3-methoxyphenyl)-1-[5-(4-pyri…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.52 4.54 -21.88 2 7 0 89 327.369 4 ↓
Hi High (pH 8-9.5) 2.15 3.36 -45.6 1 7 -1 95 326.361 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DYR1A-3-E Dual Specificity Tyrosine-phosphorylation-regulated Kinase 1A (cluster #3 Of 3), Eukaryotic Eukaryotes 5000 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DYR1A_MOUSE Q61214 Dual-specificity Tyrosine-phosphorylation Regulated Kinase 1A, Mouse 5000 0.32 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G0 and Early G1

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.